methyl 2-(6,7-dichloro-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)acetate

C12H6Cl2N2O3S — CID 2798922

IUPACmethyl 2-(6,7-dichloro-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)acetate
SMILESCOC(=O)C=c1sc2nc3cc(Cl)c(Cl)cc3n2c1=O
InChIInChI=1S/C12H6Cl2N2O3S/c1-19-10(17)4-9-11(18)16-8-3-6(14)5(13)2-7(8)15-12(16)20-9/h2-4H,1H3
InChIKeyQNOLCHRDBCKZFK-UHFFFAOYSA-N
MW329.16 g/mol
LogP1.89
Rot. Bonds1

About methyl 2-(6,7-dichloro-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)acetate

methyl 2-(6,7-dichloro-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)acetate (PubChem CID 2798922) has the molecular formula C12H6Cl2N2O3S and a molecular weight of 329.16 g/mol. Its IUPAC name is methyl 2-(6,7-dichloro-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(6,7-dichloro-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)acetate
PubChem CID2798922
Molecular FormulaC12H6Cl2N2O3S
Molecular Weight329.16 g/mol
Exact Mass327.95
IUPAC Namemethyl 2-(6,7-dichloro-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)acetate
SMILESCOC(=O)C=c1sc2nc3cc(Cl)c(Cl)cc3n2c1=O
InChIInChI=1S/C12H6Cl2N2O3S/c1-19-10(17)4-9-11(18)16-8-3-6(14)5(13)2-7(8)15-12(16)20-9/h2-4H,1H3
InChIKeyQNOLCHRDBCKZFK-UHFFFAOYSA-N
XLogP1.89
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6,7-dichloro-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)acetate?
The IUPAC name of methyl 2-(6,7-dichloro-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)acetate (CID 2798922) is methyl 2-(6,7-dichloro-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)acetate.
What is the SMILES notation for methyl 2-(6,7-dichloro-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)acetate?
The canonical SMILES for methyl 2-(6,7-dichloro-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)acetate is COC(=O)C=c1sc2nc3cc(Cl)c(Cl)cc3n2c1=O.
What is the InChIKey of methyl 2-(6,7-dichloro-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)acetate?
The InChIKey is QNOLCHRDBCKZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O3S/c1-19-10(17)4-9-11(18)16-8-3-6(14)5(13)2-7(8)15-12(16)20-9/h2-4H,1H3.
What are the key properties of methyl 2-(6,7-dichloro-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)acetate?
methyl 2-(6,7-dichloro-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)acetate has a molecular weight of 329.16 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6,7-dichloro-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)acetate is sourced from PubChem (CID 2798922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).